1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[4-(3-fluorophenyl)sulfonylpiperazino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C17H18FN3O4S2 MolecularWeight: 411.470923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=[N+]2[O-])S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=[N+]2[O-])S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H18FN3O4S2/c18-14-4-3-5-15(12-14)27(24,25)20-10-8-19(9-11-20)16(22)13-26-17-6-1-2-7-21(17)23/h1-7,12H,8-11,13H2